methyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[3-nitro-4-(1-piperidyl)benzoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(3-nitro-4-piperidino-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-12-13(2)29-19(17(12)20(25)28-3)21-18(24)14-7-8-15(16(11-14)23(26)27)22-9-5-4-6-10-22/h7-8,11H,4-6,9-10H2,1-3H3,(H,21,24)